Molecule
ID:6501
General Information
Molecular Formula
C₆H₄F₉I
Molecular Mass
373.9860588
Exact Mass
373.92140211
Charge
0
InChI
InChI=1S/C6H4F9I/c7-3(1-2-16,5(10,11)12)4(8,9)6(13,14)15/h1-2H2
InChIKey
AOJSNAHJSVDKPI-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(F)(F)F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C(C(C(CCI)(C(F)(F)F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.3071084
LogD (pH = 7.4)
4.3071084
Log P
4.3071084
Molar Refractivity
44.1381
Polarizability
17.122389
Polar Surface Area
0.0
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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